FT-IR and Raman spectra and vibrational investigation of bis (4-acetylanilinium) hexachlorostannate using DFT (B3LYP) calculation
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- 作者：S. Tarchouna ; sana.tarchouna2012@gmail.com" class="auth_mail" title="E-mail the corresponding author ; I. Chaabane ; A. Ben Rahaiem
- 关键词：Organic&ndash ; inorganic hybrid materials ; FT-IR and FT-Raman spectroscopies ; 4-aminoacetophenone ; DFT/B3LYP/LanL2DZ calculations
- 刊名：Physica E: Low-dimensional Systems and Nanostructures
- 出版年：2016
- 出版时间：September 2016
- 年：2016
- 卷：83
- 期：Complete
- 页码：186-194
- 全文大小：1266 K
文摘
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The [C8H10NO]2 SnCl6 compound has been synthesized by evaporation of aqueous solutions in a molar ratio 2:1.
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The free 4-acetylanilinium ligand was analyzed by FT-R and the [C8H10NO]2SnCl6 compound by FT-IR and FT-Raman spectroscopies.
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The optimized [C8H10NO]2 SnCl6 molecular geometry was calculated using DFT/B3LYP/ LanL2DZ and B3LYP/ LanL2MB basis set.
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The vibrational frequencies were calculated using DFT/B3LYP/ LanL2DZ basis set and show a good agreement with experimental results.
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The comparison of the Raman spectrum of the free 4-acetylanilinium ligand with that of compound was discussed.